SCHEMBL3098392

SCHEMBL3098392

Nc1ccccc1NC(=O)/C=C/c1ccc(C(Nc2ccccc2)C(=O)NCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.64
HDAC4 P56524 4/20 0.56
MEF2D Q14814 4/20 0.56
EP300 Q09472 1/20 0.56
KDM1A O60341 1/20 0.52
MAOA P21397 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC3 O15379 2/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC8 Q9BY41 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3098407 1.00 HDAC1 (0.64) HDAC1HDAC4MEF2DEP300KDM1A
SCHEMBL3095614 0.91 HDAC1 (0.67) HDAC1HDAC4MEF2DHDAC2HDAC3
SCHEMBL3095602 0.91 HDAC1 (0.67) HDAC1HDAC4MEF2DHDAC2HDAC3
SCHEMBL3094153 0.91 HDAC1 (0.58) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL3094135 0.91 HDAC1 (0.58) HDAC1HDAC4MEF2DEP300HDAC3
SCHEMBL3095363 0.90 HDAC4 (0.60) HDAC1HDAC4MEF2DEP300KDM1A
SCHEMBL3095378 0.90 HDAC4 (0.60) HDAC1HDAC4MEF2DEP300KDM1A
SCHEMBL3099825 0.90 HDAC1 (0.61) HDAC1HDAC4MEF2DEP300KDM1A
SCHEMBL3099815 0.90 HDAC1 (0.61) HDAC1HDAC4MEF2DEP300KDM1A
SCHEMBL3095624 0.87 HDAC1 (0.57) HDAC1HDAC4MEF2DEP300KDM1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238103-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-10-13 EP disclosed
US-7795315-B2 N-(2-amino-phenyl)-amide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-09-14 US disclosed
US-7795315-B2 N-(2-amino-phenyl)-amide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-09-14 US disclosed
US-7795315-B2 N-(2-amino-phenyl)-amide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-09-14 US disclosed
US-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 US disclosed
US-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 US disclosed
US-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-13 US disclosed
WO-2009095324-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090203681-A1 NOVEL N-(2-AMINO-PHENYL)-AMIDE DERIVATIVES MKI67, API5, BAD HDAC1 815/4885HDAC4 1003/4885MEF2D 923/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.